Eddy-induced upwelling off Cape Sao Tome (22 degrees S, Brazil)

The regional ocean off southeast Brazil (20 degrees S-28 degrees S) is known as a current-eddy-upwelling region. The proximity of the Brazil Current to the coast in the Cape Sao Tome vicinities, as well as of its quasi-stationary unstable meanders, suggests the possibility of background eddy-induced upwelling. Such phenomenon can intensify the prevalent coastal upwelling due to wind and topographic effects. In this paper, with the help of a numerical simulation, we provide evidence that eddy-induced upwelling in the absence of wind is possible in this region. The simulation was conducted with a regional configuration of the 3-D Princeton Ocean Model initialized by a feature-based implementation of the Brazil Current and Cape Frio eddy, blended with climatology. (C) 2010 Elsevier Ltd. All rights reserved.

A tellurium-based cathepsin B inhibitor: Molecular structure, modelling, molecular docking and biological evaluation

The crystallographically determined structure of biologically active 4,4-dichloro-1,3-diphenyl-4-telluraoct-2-en-1-one, 3, shows the coordination geometry for Te to be distorted psi-pentagonal bipyramidal based on a C2OCl3(lone pair) donor set. Notable is the presence of an intramolecular axial Te center dot center dot center dot O (carbonyl) interaction, a design element included to reduce hydrolysis. Raman and molecular modelling studies indicate the persistence of the Te center dot center dot center dot O(carbonyl) interaction in the solution (CHCl3) and gasphases, respectively. Docking studies of 3' (i.e. original 3 less one chloride) with Cathepsin B reveals a change in the configuration about the vinyl C = C bond. i.e. to E from Z (crystal structure). This isomerism allows the optimisation of interactions in the complex which features a covalent Te-SGCys29 bond. Crucially, the E configuration observed for 3' allows for the formation of a hypervalent Te center dot center dot center dot O interaction as well as an O center dot center dot center dot H-O hydrogen bond with the Gly27 and Glu122 residues, respectively. Additional stabilisation is afforded by a combination of interactions spanning the S1, S2, S1' and S2' sub-sites of Cathepsin B. The greater experimental inhibitory activity of 3 compared with analogues is rationalised by the additional interactions formed between 3' and the His110 and His111 residues in the occluding loop, which serve to hinder the entrance to the active site. (C) 2012 Elsevier B.V. All rights reserved.

New Insights on Nontechnical Losses Characterization Through Evolutionary-Based Feature Selection

Although nontechnical losses automatic identification has been massively studied, the problem of selecting the most representative features in order to boost the identification accuracy and to characterize possible illegal consumers has not attracted much attention in this context. In this paper, we focus on this problem by reviewing three evolutionary-based techniques for feature selection, and we also introduce one of them in this context. The results demonstrated that selecting the most representative features can improve a lot of the classification accuracy of possible frauds in datasets composed by industrial and commercial profiles.